2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]thiophene-3-carboxylic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-thenoic acid Formula: C14H12BrNO3S2 MolecularWeight: 386.28398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=CS2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=CS2)C(=O)O

InChI

InChI=1S/C14H12BrNO3S2/c1-8-6-9(15)2-3-11(8)21-7-12(17)16-13-10(14(18)19)4-5-20-13/h2-6H,7H2,1H3,(H,16,17)(H,18,19)